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On solving the Rachford-Rice equation with higher order methods

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Authors:
  • Yan, Wei ;
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    Department of Chemistry, Technical University of Denmark
  • Stenby, Erling Halfdan
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    Orcid logo0000-0002-2296-069X
    Center for Energy Resources Engineering, Center, Technical University of Denmark
DOI:
10.1016/j.fluid.2013.12.006
Abstract:
The Rachford-Rice equation calculates the amounts and compositions of two equilibrium phases at constant K-factors. This single variable equation is a perfect candidate for applying higher order iteration methods because the additional cost for evaluating the derivatives with order higher than two is relatively low. This study compares the performance of Householder's high order iterations up to order seven. In addition, a method to improve the initial estimate is proposed for the situation where the Rachford-Rice function shows abrupt change close to the asymptotes and overshooting happens. The proposed method can largely reduce repeated use of the bisection adjustment in the subsequent iterations. The comparison shows that the Householder's iteration with order three or four gives the best performance on average.
Type:
Journal article
Language:
English
Published in:
Fluid Phase Equilibria, 2014, Vol 363, p. 290-292
Keywords:
Rachford-Rice equation; Higher order methods; Flash
Main Research Area:
Science/technology
Publication Status:
Published
Review type:
Peer Review
Submission year:
2014
Scientific Level:
Scientific
ID:
258649454

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